manganese(2+) ion ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide

• ChemBase ID: 111929
• Molecular Formular: C4H6MnN2S4
• Molecular Mass: 265.301889
• Monoisotopic Mass: 264.8794273
• SMILES: [Mn+2].[S-]C(=S)NCCNC(=S)[S-]
• Canonical SMILES: [S-]C(=S)NCCNC(=S)[S-].[Mn+2]
• InChI: InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
• InChIKey: YKSNLCVSTHTHJA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(2+) ion ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide
• IUPAC Traditional name: manganese(II) ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide; manganese(2+) ion ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide
• Synonyms: MANGANESE ETHYLENE BISDITHIOCARBAMATE TECHNICAL GRADE; Manganese ethylene-1,2-bisdithiocarbamate; polymer; Maneb

Database IDs

• CAS Number: 12427-38-2
• EC Number: 235-654-8
• PubChem SID: 162096755
• PubChem CID: 3032581
• Chemspider ID: NA
• Wikipedia Title: Maneb

CALCULATED PROPERTIES

• Acid pKa: 1.735449
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): -0.31330627
• LogD (pH = 7.4): -0.31710216
• Log P: 1.9688126
• Molar Refractivity: 60.759 cm^3
• Polarizability: 23.998764 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: slightly soluable (160 mg·l^-1) in water
• Apperance: yellow to brown colored crystalline solid
• Melting Point: decompose at 192–204 °C
• Density: 1.92 g·cm^-3 (25 °C)

Safety Information

• RTECS: OP0700000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:37-43
• Safety Statements: S:8-46-24/25

Product Information

• Grade: TECHNICAL